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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50073526'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mu-type opioid receptor


(MOUSE)		BDBM50073526
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C43H61N7O16/c1-19(2)30(39(61)46-22(6)41(63)65-43-34(56)32(54)33(55)42(64)66-43)50-40(62)31(20(3)4)49-38(60)28(18-29(52)53)48-37(59)27(17-23-10-8-7-9-11-23)47-35(57)21(5)45-36(58)26(44)16-24-12-14-25(51)15-13-24/h7-15,19-22,26-28,30-34,42-43,51,54-56,64H,16-18,44H2,1-6H3,(H,45,58)(H,46,61)(H,47,57)(H,48,59)(H,49,60)(H,50,62)(H,52,53)/t21-,22-,26+,27+,28+,30+,31+,32-,33-,34-,42+,43+/m1/s1
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Similars
Article
PubMed
 1.59E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.

J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair